SCHEMBL2966587

SCHEMBL2966587

N#CC(C=O)c1ccncn1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.32
CYP19A1 P11511 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2810246 0.77 HSP90AA1 (0.39) HSP90AA1CYP19A1
SCHEMBL28476071 0.76 MEN1 (0.45)
SCHEMBL2554967 0.75 HSP90AA1 (0.38) HSP90AA1CYP19A1
SCHEMBL4185103 0.73 SLC6A2 (0.35) CYP19A1
SCHEMBL11842818 0.73 ATM (0.39) HSP90AA1
SCHEMBL6471934 0.72 HSP90AA1 (0.40) HSP90AA1CYP19A1
SCHEMBL16402794 0.72 HSP90AA1 (0.35) HSP90AA1CYP19A1
SCHEMBL15058024 0.72 HSP90AA1 (0.35) HSP90AA1CYP19A1
SCHEMBL9970860 0.70
SCHEMBL16402858 0.68 CYP2D6 (0.35) HSP90AA1CYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689395-B1 VINCA DERIVATIVES ALBANY MOLECULAR RES INC (US) 2016-02-17 EP disclosed
US-8895543-B2 Vinca derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2014-11-25 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-7745619-B2 alkaloids; anticarcinogenic, antiproliferative agent; inhibitor of cellular mitosis and cell proliferation; binding to tubulin leads to cell cycle arrest in M phase and subsequently to apoptosis; antiallergen, antiinflammatory, antidiabetic, autoimmune diseases; asthma, arthritis, Alzheimer' disease ALBANY MOLECULAR RESEARCH, INC. (US) 2010-06-29 US disclosed
EP-2183243-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS Pfizer Inc. (US) 2010-05-12 EP disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 WO disclosed
US-20080108644-A1 VINCA DERIVATIVES AMR TECHNOLOGY, INC. (US) 2008-05-08 US disclosed
US-20070179171-A1 alkaloids; anticarcinogenic, antiproliferative agent; inhibitor of cellular mitosis and cell proliferation; binding to tubulin leads to cell cycle arrest in M phase and subsequently to apoptosis; antiallergen, antiinflammatory, antidiabetic, autoimmune diseases; asthma, arthritis, Alzheimer' disease AMR TECHNOLOGY, INC. (US) 2007-08-02 US disclosed
US-7238704-B2 For use as inhibitors of cellular mitosis and proliferation AMR TECHNOLOGY, INC. (US) 2007-07-03 US disclosed
US-20050137169-A1 Vinca derivatives APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2005-06-23 US disclosed
US-3995039-A Pyrazolo [1,5-a] [1,3,5] triazines MERCK & CO., INC. (US) 1976-11-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090221608-A1 PYRAZOLE COMPOUNDS BRAF, RAF1, NRAS HSP90AA1 1639/4885CYP19A1 571/4885
US-20070179171-A1 alkaloids; anticarcinogenic, antiproliferative agent; inhibitor of cellular mitosis and cell proliferation; binding to tubulin leads to cell cycle arrest in M phase and subsequently to apoptosis; antiallergen, antiinflammatory, antidiabetic, autoimmune diseases; asthma, arthritis, Alzheimer' disease CCNB1, CCNB3, BUB1 HSP90AA1 747/4885CYP19A1 381/4885
US-20050137169-A1 Vinca derivatives UGT1A3, CA5A, VIM HSP90AA1 2128/4885CYP19A1 118/4885
US-20080108644-A1 VINCA DERIVATIVES UGT1A3, CA5A, VIM HSP90AA1 2128/4885CYP19A1 118/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.